BRIMAPITIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C164H286N66O40
Molecular Weight	3822.4438
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]3CCCN3C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N5CCC[C@@H]5C(=O)N[C@H](CCCNC(N)=N)C(=O)N6CCC[C@@H]6C(=O)N7CCC[C@@H]7C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI

InChIKey=BAAXVYBAMNDCIB-BMCUWHFPSA-N

InChI=1S/C164H286N66O40/c1-84(2)77-106(217-139(254)108(79-89-33-10-9-11-34-89)220-146(261)112-48-28-72-226(112)153(268)105(55-58-119(171)236)216-148(263)123(86(5)6)222-147(262)115-51-29-73-227(115)151(266)103(45-25-69-199-163(188)189)214-142(257)110(83-231)221-137(252)100(53-56-117(169)234)202-126(241)90(168)80-122(239)240)138(253)219-109(81-120(172)237)140(255)218-107(78-85(3)4)141(256)223-124(87(7)232)149(264)224-125(88(8)233)155(270)229-75-31-50-114(229)144(259)212-99(44-24-68-198-162(186)187)135(250)213-102(37-14-17-61-167)150(265)225-71-27-47-111(225)145(260)215-104(46-26-70-200-164(190)191)152(267)230-76-32-52-116(230)154(269)228-74-30-49-113(228)143(258)211-98(43-23-67-197-161(184)185)134(249)208-95(40-20-64-194-158(178)179)131(246)207-97(42-22-66-196-160(182)183)133(248)210-101(54-57-118(170)235)136(251)209-96(41-21-65-195-159(180)181)132(247)206-94(39-19-63-193-157(176)177)130(245)205-93(36-13-16-60-166)129(244)204-92(35-12-15-59-165)128(243)203-91(38-18-62-192-156(174)175)127(242)201-82-121(173)238/h9-11,33-34,84-88,90-116,123-125,231-233H,12-32,35-83,165-168H2,1-8H3,(H2,169,234)(H2,170,235)(H2,171,236)(H2,172,237)(H2,173,238)(H,201,242)(H,202,241)(H,203,243)(H,204,244)(H,205,245)(H,206,247)(H,207,246)(H,208,249)(H,209,251)(H,210,248)(H,211,258)(H,212,259)(H,213,250)(H,214,257)(H,215,260)(H,216,263)(H,217,254)(H,218,255)(H,219,253)(H,220,261)(H,221,252)(H,222,262)(H,223,256)(H,224,264)(H,239,240)(H4,174,175,192)(H4,176,177,193)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C164H286N66O40
Molecular Weight	3822.4438
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	32 / 32
E/Z Centers	17
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:34:50 UTC 2023` Edited by `admin` on `Sat Dec 16 15:34:50 UTC 2023`
Record UNII	2K30142185
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRIMAPITIDE

Official Name

English

Brimapitide [WHO-DD]

Common Name

English

XG-102

Common Name

English

brimapitide [INN]

Common Name

English

D-ASP-D-GLN-D-SER-D-ARG-D-PRO-D-VAL-D-GLN-D-PRO-D-PHE-D-LEU-D-ASN-D-LEU-D-THR-D-THR-D-PRO-D-ARG-D-LYS-D-PRO-D-ARG-D-PRO-D-PRO-D-ARG-D-ARG-D-ARG-D-GLN-D-ARG-D-ARG-D-LYS-D-LYS-D-ARG-GLY-NH2

Systematic Name

English

Code System Code Type Description

INN

10207